Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d24d1d22ab8e1442fef1629d5bb6646",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 92.74,
"b": 72.29,
"c": 55.33,
"alpha": 90.00,
"beta": 108.32,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.869,1.856],
"number_observations": 131396,
"number_observations_unique": 29330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.862,1.856],
"number_observations": 1173,
"number_observations_unique": 280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.709
},
{
"type": "R(meas)",
"value": 0.813
},
{
"type": "R(pim)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [55.869,8.605],
"number_observations": 1289,
"number_observations_unique": 313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}